≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488200816 |
|---|---|
| Sonrisas canónicas | C1=CC(=C(C(=C1)Br)F)CC#N |
| IUPAC Name | 2-(3-bromo-2-fluorophenyl)acetonitrile |
| InChIKey | JKRBRQNAVKGEHZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2 |
| Isómeros SMILES | C1=CC(=C(C(=C1)Br)F)CC#N |
| WGK Alemania | 3 |
| Peso molecular | 214.04 |
| Reaxy-Rn | 19200551 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19200551&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 I2220234 | Certificate of Analysis | Jul 07, 2026 | B489549 |
| I2220233 | Certificate of Analysis | Jul 07, 2026 | B489549 |
| I2220257 | Certificate of Analysis | Jul 06, 2026 | B489549 |
| C2320623 | Certificate of Analysis | Jul 13, 2022 | B489549 |
| C2320624 | Certificate of Analysis | Jul 13, 2022 | B489549 |
| Índice de refracción | 1.551 |
|---|---|
| Punto de inflamación (°F) | >230 °F |
| Punto de inflamación (°C) | >110 °C |
| Punto de ebullición (°C) | 92°/0.3mm |
| Peso molecular | 214.030 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.959 Da |
| Monoisotopic Mass | 212.959 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
